SCHEMBL3732449

SCHEMBL3732449

CC(C)[C@@H](C(=O)NCc1ccccc1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 1.00
CA1 P00915 9/20 1.00
CA9 Q16790 7/20 1.00
CA12 O43570 7/20 1.00
CA7 P43166 5/20 1.00
CA5A P35218 5/20 1.00
CA5B Q9Y2D0 5/20 1.00
CA14 Q9ULX7 4/20 1.00
CA3 P07451 3/20 1.00
CA4 P22748 3/20 1.00
CA6 P23280 3/20 1.00
CA13 Q8N1Q1 3/20 1.00
POLB P06746 1/20 0.48
PTGS2 P35354 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3732451 1.00 CA2 (1.00) CA2CA1CA9CA12CA7
SCHEMBL13012377 1.00 CA2 (1.00) CA2CA1CA9CA12CA7
SCHEMBL13042266 0.91 CA2 (0.84) CA2CA1CA9CA12CA7
SCHEMBL3737727 0.90 CA2 (0.82) CA2CA1CA9CA12CA7
SCHEMBL3737724 0.90 CA2 (0.82) CA2CA1CA9CA12CA7
SCHEMBL3740859 0.88 CA2 (0.78) CA2CA1CA9CA12CA7
SCHEMBL3740864 0.88 CA2 (0.78) CA2CA1CA9CA12CA7
SCHEMBL3738166 0.87 CA2 (0.77) CA2CA1CA9CA12CA7
SCHEMBL3738160 0.87 CA2 (0.77) CA2CA1CA9CA12CA7
SCHEMBL3734295 0.87 CA2 (0.76) CA2CA1CA9CA12CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN claimed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP claimed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US claimed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO claimed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA9 1/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA9 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.